5WMA

N-terminal bromodomain of BRD4 in complex with PLX5981

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	37.226, 44.470, 78.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.670 - 1.401
R-factor	0.1483
Rwork	0.146
R-free	0.17560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oss
RMSD bond length	0.004
RMSD bond angle	0.988
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge		0.111
Number of reflections	26278
<I/σ(I)>	9.8
Completeness [%]	99.9
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Bis-Tris propane, pH 7.5-8.0, 11% PEG3350, 0.2 M sodium chloride, 20% ethylene glycol